(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C19H28N4O2 — CID 97366569

IUPAC(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-8-21-16(9-20-13)10-22-19(24)17-7-15-5-6-23(12-18(15)25-17)11-14-3-2-4-14/h8-9,14-15,17-18H,2-7,10-12H2,1H3,(H,22,24)/t15-,17+,18+/m0/s1
InChIKeyMQDYYBDAXGMSMF-CGTJXYLNSA-N
MW344.46 g/mol
LogP1.68
Rot. Bonds5

About (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366569) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366569
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1
InChIInChI=1S/C19H28N4O2/c1-13-8-21-16(9-20-13)10-22-19(24)17-7-15-5-6-23(12-18(15)25-17)11-14-3-2-4-14/h8-9,14-15,17-18H,2-7,10-12H2,1H3,(H,22,24)/t15-,17+,18+/m0/s1
InChIKeyMQDYYBDAXGMSMF-CGTJXYLNSA-N
XLogP1.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366569) is (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is Cc1cnc(CNC(=O)[C@H]2C[C@@H]3CCN(CC4CCC4)C[C@H]3O2)cn1.
What is the InChIKey of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is MQDYYBDAXGMSMF-CGTJXYLNSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-8-21-16(9-20-13)10-22-19(24)17-7-15-5-6-23(12-18(15)25-17)11-14-3-2-4-14/h8-9,14-15,17-18H,2-7,10-12H2,1H3,(H,22,24)/t15-,17+,18+/m0/s1.
What are the key properties of (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-6-(cyclobutylmethyl)-N-[(5-methylpyrazin-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).